Mol:FL5FBCGA0001

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Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 19 15  1  0  0  0  0
  8 20  1  0  0  0  0
 16 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
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 31 32  1  0  0  0  0
  3 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1 CH2OH
M  SBV   1 34   -8.5766    5.7530
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  33  34
M  SBL   2  1  36
M  SMT   2 OCH3
M  SBV   2 36   -9.4363    5.5896
S  SKP  8
ID	FL5FBCGA0001
KNApSAcK_ID	C00005498
NAME	Azaleatin 3-galactoside
CAS_RN	27193-60-8
FORMULA	C22H22O12
EXACTMASS	478.111126168
AVERAGEMASS	478.40288000000004
SMILES	c(c(C(O3)=C(C(=O)c(c(OC)4)c3cc(c4)O)OC(O2)C(O)C(C(C(CO)2)O)O)1)cc(c(c1)O)O
M  END

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